CHEBI:89250 - 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol
ChEBI ID CHEBI:89250
ChEBI ASCII Name 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol
Definition A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (8Z,11Z,14Z,17Z)-icosatetraenoyl and octadecanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C47H83O13P
Net Charge 0
Average Mass 887.130
Monoisotopic Mass 886.55713
InChI InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,39,42-47,50-54H,3-4,6,8-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,23-22-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKey RMRCTNVEDOWEQF-TXXKXUKCSA-N
SMILES C(CCCCCCCCC)CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89250) has functional parent all-cis-8,11,14,17-icosatetraenoic acid (CHEBI:71488)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89250) has functional parent octadecanoic acid (CHEBI:28842)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89250) has role human metabolite (CHEBI:77746)
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89250) is a 1-phosphatidyl-1D-myo-inositol (CHEBI:16749)
IUPAC Name
(2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-(octadecanoyloxy)propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Synonyms Sources
1-(8Z,11Z,14Z,17Z-Eicosapentaenoyl)-2-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) HMDB
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-stearoyl-sn-glycero-3-phospho-1D-myo-inositol ChEBI
1-Eicsoatetraenoyl-2-stearoyl-sn-glycero-3-phosphoinositol HMDB
[(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(octadecanoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid HMDB
Phosphatidylinositol(20:4/18:0) HMDB
Phosphatidylinositol(20:4n3/18:0) HMDB
Phosphatidylinositol(20:4w3/18:0) HMDB
Phosphatidylinositol(38:4) HMDB
PI(20:4(8Z,11Z,14Z,17Z)/18:0) HMDB
PI(20:4/18:0) HMDB
PI(20:4n3/18:0) HMDB
PI(20:4w3/18:0) HMDB
PI(38:4) HMDB
PIno(20:4/18:0) HMDB
PIno(20:4n3/18:0) HMDB
PIno(20:4w3/18:0) HMDB
PIno(38:4) HMDB
Manual Xref Database
HMDB0009900 HMDB
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Citation Waiting for Citations Type Source
20671299 PubMed citation Europe PMC
Last Modified
24 March 2016